4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-N,N-diethyl-aniline

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-N,N-diethyl-aniline Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-N,N-diethyl-aniline CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-N,N-diethylaniline IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-N,N-diethylaniline Traditional Name: [4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]-diethyl-amine Formula: C21H29ClN3+ MolecularWeight: 358.92806

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H28ClN3/c1-3-24(4-2)20-10-8-18(9-11-20)17-23-12-14-25(15-13-23)21-7-5-6-19(22)16-21/h5-11,16H,3-4,12-15,17H2,1-2H3/p+1