(3S)-N-cyclobutyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclobutyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclobutyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclobutyl-1-(1-phenethyl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclobutyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclobutyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C23H37N3O+2 MolecularWeight: 371.55938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)CCC3=CC=CC=C3)C(=O)NC4CCC4

InChI

InChI=1S/C23H35N3O/c27-23(24-21-9-4-10-21)20-8-5-14-26(18-20)22-12-16-25(17-13-22)15-11-19-6-2-1-3-7-19/h1-3,6-7,20-22H,4-5,8-18H2,(H,24,27)/p+2/t20-/m0/s1