N-[3-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: N-[3-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: N-[3-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]benzamide CAS Name: N-[3-[4-[(4-ethoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]benzamide IUPAC Name: N-[3-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]benzamide Traditional Name: N-[3-[4-(4-ethoxybenzyl)piperazin-4-ium-1-yl]-3-keto-propyl]benzamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCNC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-2-29-21-10-8-19(9-11-21)18-25-14-16-26(17-15-25)22(27)12-13-24-23(28)20-6-4-3-5-7-20/h3-11H,2,12-18H2,1H3,(H,24,28)/p+1