N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-4-(4-methylpiperazin-4-ium-1-yl)benzamide

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-4-(4-methylpiperazin-4-ium-1-yl)benzamide Openeye Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-4-(4-methylpiperazin-4-ium-1-yl)benzamide CAS Name: N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]-4-(4-methyl-1-piperazin-4-iumyl)benzamide IUPAC Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-4-(4-methylpiperazin-4-ium-1-yl)benzamide Traditional Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-4-(4-methylpiperazin-4-ium-1-yl)benzamide Formula: C24H40N4O+2 MolecularWeight: 400.6006

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3CCC[NH+](C3)CC4CCCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)N[C@H]3CCC[NH+](C3)CC4CCCCC4

InChI

InChI=1S/C24H38N4O/c1-26-14-16-28(17-15-26)23-11-9-21(10-12-23)24(29)25-22-8-5-13-27(19-22)18-20-6-3-2-4-7-20/h9-12,20,22H,2-8,13-19H2,1H3,(H,25,29)/p+2/t22-/m0/s1