[4-(phenylmethyl)piperazin-4-ium-1-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3-isopropoxyphenyl)methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-propan-2-yloxyphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3-isopropoxyphenyl)methanone Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

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