3-chloranyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]aniline

Systemtic Name: 3-chloranyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]aniline Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-3-chloro-aniline CAS Name: 3-chloro-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]aniline IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-3-chloroaniline Traditional Name: [2-(4-benzylpiperazin-4-ium-1-yl)-3-chloro-phenyl]amine Formula: C17H21ClN3+ MolecularWeight: 302.82174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=CC=C3Cl)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=CC=C3Cl)N

InChI

InChI=1S/C17H20ClN3/c18-15-7-4-8-16(19)17(15)21-11-9-20(10-12-21)13-14-5-2-1-3-6-14/h1-8H,9-13,19H2/p+1