N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-[4-[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-[4-[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(4-benzyloxy-3-methoxy-phenyl)methyl]-2-[4-[2-(3-methoxypropylamino)-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-[2-(3-methoxypropylamino)-2-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-benzoxy-3-methoxy-benzyl)-2-[4-[2-keto-2-(3-methoxypropylamino)ethyl]piperazin-1-ium-1-yl]acetamide Formula: C27H39N4O5+ MolecularWeight: 499.62236

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)CN1CC[NH+](CC1)CC(=O)NCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

COCCCNC(=O)CN1CC[NH+](CC1)CC(=O)NCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C27H38N4O5/c1-34-16-6-11-28-26(32)19-30-12-14-31(15-13-30)20-27(33)29-18-23-9-10-24(25(17-23)35-2)36-21-22-7-4-3-5-8-22/h3-5,7-10,17H,6,11-16,18-21H2,1-2H3,(H,28,32)(H,29,33)/p+1