ethyl 3-benzamido-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzoate

Systemtic Name: ethyl 3-benzamido-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzoate Openeye Name: ethyl 3-benzamido-4-(4-benzylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-benzamido-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-benzamido-4-(4-benzylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-benzamido-4-(4-benzylpiperazin-4-ium-1-yl)benzoic acid ethyl ester Formula: C27H30N3O3+ MolecularWeight: 444.5454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3/c1-2-33-27(32)23-13-14-25(24(19-23)28-26(31)22-11-7-4-8-12-22)30-17-15-29(16-18-30)20-21-9-5-3-6-10-21/h3-14,19H,2,15-18,20H2,1H3,(H,28,31)/p+1