N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)benzamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)benzamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)benzamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-N-methyl-4-(4-methyl-1-piperazin-4-iumyl)benzamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)benzamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)benzamide Formula: C27H38N4O+2 MolecularWeight: 434.61682

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)N(C)C3CCC[NH+](C3)C4CC5=CC=CC=C5C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)N(C)[C@H]3CCC[NH+](C3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C27H36N4O/c1-28-14-16-30(17-15-28)24-11-9-21(10-12-24)27(32)29(2)25-8-5-13-31(20-25)26-18-22-6-3-4-7-23(22)19-26/h3-4,6-7,9-12,25-26H,5,8,13-20H2,1-2H3/p+2/t25-/m0/s1