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

Systemtic Name: 3-chloranyl-4-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]aniline Openeye Name: 4-[(4-benzylpiperazin-4-ium-1-yl)methyl]-3-chloro-aniline CAS Name: 3-chloro-4-[[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]aniline IUPAC Name: 4-[(4-benzylpiperazin-4-ium-1-yl)methyl]-3-chloroaniline Traditional Name: [4-[(4-benzylpiperazin-4-ium-1-yl)methyl]-3-chloro-phenyl]amine Formula: C18H23ClN3+ MolecularWeight: 316.84832

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=C(C=C(C=C3)N)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)CC3=C(C=C(C=C3)N)Cl

InChI

InChI=1S/C18H22ClN3/c19-18-12-17(20)7-6-16(18)14-22-10-8-21(9-11-22)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14,20H2/p+1