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

Systemtic Name: N-[2-[2-(2-azanylethyl)-1-cyclohexylcarbonyl-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]phenyl]ethanamide Openeye Name: N-[2-[2-(2-aminoethyl)-1-(cyclohexanecarbonyl)-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]phenyl]acetamide CAS Name: N-[2-[2-(2-aminoethyl)-1-[cyclohexyl(oxo)methyl]-4-(2-methoxyphenyl)-1-piperazin-1-iumyl]phenyl]acetamide IUPAC Name: N-[2-[2-(2-aminoethyl)-1-(cyclohexanecarbonyl)-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]phenyl]acetamide Traditional Name: N-[2-[2-(2-aminoethyl)-1-(cyclohexanecarbonyl)-4-(2-methoxyphenyl)piperazin-1-ium-1-yl]phenyl]acetamide Formula: C28H39N4O3+ MolecularWeight: 479.63426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1[N+]2(CCN(CC2CCN)C3=CC=CC=C3OC)C(=O)C4CCCCC4

Isomeric SMILES

CC(=O)NC1=CC=CC=C1[N+]2(CCN(CC2CCN)C3=CC=CC=C3OC)C(=O)C4CCCCC4

InChI

InChI=1S/C28H38N4O3/c1-21(33)30-24-12-6-8-14-26(24)32(28(34)22-10-4-3-5-11-22)19-18-31(20-23(32)16-17-29)25-13-7-9-15-27(25)35-2/h6-9,12-15,22-23H,3-5,10-11,16-20,29H2,1-2H3/p+1