N-(2-morpholin-4-ium-4-ylethyl)-4-[4-[(4S)-4-phenylazepan-1-ium-1-yl]piperidin-1-yl]benzamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[4-[(4S)-4-phenylazepan-1-ium-1-yl]piperidin-1-yl]benzamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[4-[(4S)-4-phenylazepan-1-ium-1-yl]-1-piperidyl]benzamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-4-[4-[(4S)-4-phenyl-1-azepan-1-iumyl]-1-piperidinyl]benzamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[4-[(4S)-4-phenylazepan-1-ium-1-yl]piperidin-1-yl]benzamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[4-[(4S)-4-phenylazepan-1-ium-1-yl]piperidino]benzamide Formula: C30H44N4O2+2 MolecularWeight: 492.69596

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC[NH+](C1)C2CCN(CC2)C3=CC=C(C=C3)C(=O)NCC[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CC[NH+](C1)C2CCN(CC2)C3=CC=C(C=C3)C(=O)NCC[NH+]4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C30H42N4O2/c35-30(31-15-20-32-21-23-36-24-22-32)27-8-10-28(11-9-27)34-18-13-29(14-19-34)33-16-4-7-26(12-17-33)25-5-2-1-3-6-25/h1-3,5-6,8-11,26,29H,4,7,12-24H2,(H,31,35)/p+2/t26-/m0/s1