[4-(phenylmethyl)piperazin-4-ium-1-yl]-(3-propoxyphenyl)methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-(3-propoxyphenyl)methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3-propoxyphenyl)methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-(3-propoxyphenyl)methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-propoxyphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3-propoxyphenyl)methanone Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-2-15-25-20-10-6-9-19(16-20)21(24)23-13-11-22(12-14-23)17-18-7-4-3-5-8-18/h3-10,16H,2,11-15,17H2,1H3/p+1