N-[(4-chlorophenyl)methyl]-3-piperazin-4-ium-1-yl-propanamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-3-piperazin-4-ium-1-yl-propanamide Openeye Name: N-[(4-chlorophenyl)methyl]-3-piperazin-4-ium-1-yl-propanamide CAS Name: N-[(4-chlorophenyl)methyl]-3-(1-piperazin-4-iumyl)propanamide IUPAC Name: N-[(4-chlorophenyl)methyl]-3-piperazin-4-ium-1-ylpropanamide Traditional Name: N-(4-chlorobenzyl)-3-piperazin-4-ium-1-yl-propionamide Formula: C14H21ClN3O+ MolecularWeight: 282.78904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCC(=O)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)CCC(=O)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H20ClN3O/c15-13-3-1-12(2-4-13)11-17-14(19)5-8-18-9-6-16-7-10-18/h1-4,16H,5-11H2,(H,17,19)/p+1