N-cyclopropyl-2-[4-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[2-[(4-benzyloxyphenyl)methyl-ethyl-amino]-2-oxo-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-2-[4-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[2-[(4-benzoxybenzyl)-ethyl-amino]-2-keto-ethyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C27H37N4O3+ MolecularWeight: 465.60768

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)CN3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

CCN(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)CN3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C27H36N4O3/c1-2-31(18-22-8-12-25(13-9-22)34-21-23-6-4-3-5-7-23)27(33)20-30-16-14-29(15-17-30)19-26(32)28-24-10-11-24/h3-9,12-13,24H,2,10-11,14-21H2,1H3,(H,28,32)/p+1