4-[(3,4-dimethylphenyl)methyl]-1-methoxy-N-prop-2-enyl-2-pyridin-2-yl-piperazin-1-ium-1-amine

Systemtic Name: 4-[(3,4-dimethylphenyl)methyl]-1-methoxy-N-prop-2-enyl-2-pyridin-2-yl-piperazin-1-ium-1-amine Openeye Name: N-allyl-4-[(3,4-dimethylphenyl)methyl]-1-methoxy-2-(2-pyridyl)piperazin-1-ium-1-amine CAS Name: 4-[(3,4-dimethylphenyl)methyl]-1-methoxy-N-prop-2-enyl-2-(2-pyridinyl)-1-piperazin-1-iumamine IUPAC Name: 4-[(3,4-dimethylphenyl)methyl]-1-methoxy-N-prop-2-enyl-2-pyridin-2-ylpiperazin-1-ium-1-amine Traditional Name: allyl-[4-(3,4-dimethylbenzyl)-1-methoxy-2-(2-pyridyl)piperazin-1-ium-1-yl]amine Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2CC[N+](C(C2)C3=CC=CC=N3)(NCC=C)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN2CC[N+](C(C2)C3=CC=CC=N3)(NCC=C)OC)C

InChI

InChI=1S/C22H31N4O/c1-5-11-24-26(27-4)14-13-25(16-20-10-9-18(2)19(3)15-20)17-22(26)21-8-6-7-12-23-21/h5-10,12,15,22,24H,1,11,13-14,16-17H2,2-4H3/q+1