[4-(phenylmethyl)piperazin-4-ium-1-yl]-quinolin-2-yl-methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-quinolin-2-yl-methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(2-quinolyl)methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-(2-quinolinyl)methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-quinolin-2-ylmethanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(2-quinolyl)methanone Formula: C21H22N3O+ MolecularWeight: 332.41888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H21N3O/c25-21(20-11-10-18-8-4-5-9-19(18)22-20)24-14-12-23(13-15-24)16-17-6-2-1-3-7-17/h1-11H,12-16H2/p+1