(3S)-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(1-phenethyl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C24H37N5O+2 MolecularWeight: 411.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N1)CNC(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CN=C(N1)CNC(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H35N5O/c1-19-16-25-23(27-19)17-26-24(30)21-8-5-12-29(18-21)22-10-14-28(15-11-22)13-9-20-6-3-2-4-7-20/h2-4,6-7,16,21-22H,5,8-15,17-18H2,1H3,(H,25,27)(H,26,30)/p+2/t21-/m0/s1