N-cyclopropyl-3-[[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]amino]benzamide

Systemtic Name: N-cyclopropyl-3-[[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]amino]benzamide Openeye Name: 3-[[(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]amino]-N-cyclopropyl-benzamide CAS Name: N-cyclopropyl-3-[[(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]amino]benzamide IUPAC Name: 3-[[(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide Traditional Name: 3-[[(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]amino]-N-cyclopropyl-benzamide Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC3=CC=CC(=C3)C(=O)NC4CC4

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC3=CC=CC(=C3)C(=O)NC4CC4

InChI

InChI=1S/C24H30N4O2/c1-18(25-22-9-5-8-20(16-22)23(29)26-21-10-11-21)24(30)28-14-12-27(13-15-28)17-19-6-3-2-4-7-19/h2-9,16,18,21,25H,10-15,17H2,1H3,(H,26,29)/p+1/t18-/m0/s1