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

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(1S)-2-amino-1-methyl-2-oxo-ethyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-1-amino-1-oxopropan-2-yl]-1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2S)-1-amino-1-oxopropan-2-yl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(1S)-2-amino-2-keto-1-methyl-ethyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C23H38N4O2+2 MolecularWeight: 402.57342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N4O2/c1-18(22(24)28)25-23(29)20-9-16-27(17-10-20)21-11-14-26(15-12-21)13-5-8-19-6-3-2-4-7-19/h2-4,6-7,18,20-21H,5,8-17H2,1H3,(H2,24,28)(H,25,29)/p+2/t18-/m0/s1