2-[2-(2-azanylethyl)-1-cyclohexylcarbonyl-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-cyclohexylcarbonyl-benzamide

Systemtic Name: 2-[2-(2-azanylethyl)-1-cyclohexylcarbonyl-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-cyclohexylcarbonyl-benzamide Openeye Name: 2-[2-(2-aminoethyl)-1-(cyclohexanecarbonyl)-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(cyclohexanecarbonyl)benzamide CAS Name: 2-[2-(2-aminoethyl)-1-[cyclohexyl(oxo)methyl]-4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-N-[cyclohexyl(oxo)methyl]benzamide IUPAC Name: 2-[2-(2-aminoethyl)-1-(cyclohexanecarbonyl)-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(cyclohexanecarbonyl)benzamide Traditional Name: 2-[2-(2-aminoethyl)-1-(cyclohexanecarbonyl)-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(cyclohexanecarbonyl)benzamide Formula: C34H47N4O4+ MolecularWeight: 575.76138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[N+](C(C2)CCN)(C3=CC=CC=C3C(=O)NC(=O)C4CCCCC4)C(=O)C5CCCCC5

Isomeric SMILES

COC1=CC=CC=C1N2CC[N+](C(C2)CCN)(C3=CC=CC=C3C(=O)NC(=O)C4CCCCC4)C(=O)C5CCCCC5

InChI

InChI=1S/C34H46N4O4/c1-42-31-19-11-9-17-29(31)37-22-23-38(27(24-37)20-21-35,34(41)26-14-6-3-7-15-26)30-18-10-8-16-28(30)33(40)36-32(39)25-12-4-2-5-13-25/h8-11,16-19,25-27H,2-7,12-15,20-24,35H2,1H3/p+1