N-[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(1S)-1-carbamoyl-2-methyl-propyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(1S)-1-carbamoyl-2-methyl-propyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C25H42N4O2+2 MolecularWeight: 430.62658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)NC(=O)C1CC[NH+](CC1)C2CC[NH+](CC2)CCCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N)NC(=O)C1CC[NH+](CC1)C2CC[NH+](CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C25H40N4O2/c1-19(2)23(24(26)30)27-25(31)21-10-17-29(18-11-21)22-12-15-28(16-13-22)14-6-9-20-7-4-3-5-8-20/h3-5,7-8,19,21-23H,6,9-18H2,1-2H3,(H2,26,30)(H,27,31)/p+2/t23-/m0/s1