2-[2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanoylamino]-N-phenyl-benzamide

Systemtic Name: 2-[2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanoylamino]-N-phenyl-benzamide Openeye Name: 2-[[2-[4-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]piperazin-1-ium-1-yl]acetyl]amino]-N-phenyl-benzamide CAS Name: 2-[[2-[4-[2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-phenylbenzamide IUPAC Name: 2-[[2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide Traditional Name: 2-[[2-[4-[2-keto-2-[(2S)-2-methylpiperidino]ethyl]piperazin-1-ium-1-yl]acetyl]amino]-N-phenyl-benzamide Formula: C27H36N5O3+ MolecularWeight: 478.60644

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CN2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCCN1C(=O)CN2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H35N5O3/c1-21-9-7-8-14-32(21)26(34)20-31-17-15-30(16-18-31)19-25(33)29-24-13-6-5-12-23(24)27(35)28-22-10-3-2-4-11-22/h2-6,10-13,21H,7-9,14-20H2,1H3,(H,28,35)(H,29,33)/p+1/t21-/m0/s1