1-[(Z)-3-chloranyl-3-(4-methylphenyl)prop-2-enylidene]azepan-1-ium perchlorate

Systemtic Name: 1-[(Z)-3-chloranyl-3-(4-methylphenyl)prop-2-enylidene]azepan-1-ium perchlorate Openeye Name: 1-[(Z)-3-chloro-3-(p-tolyl)prop-2-enylidene]azepan-1-ium perchlorate CAS Name: 1-[(Z)-3-chloro-3-(4-methylphenyl)prop-2-enylidene]azepan-1-ium perchlorate IUPAC Name: 1-[(Z)-3-chloro-3-(4-methylphenyl)prop-2-enylidene]azepan-1-ium perchlorate Traditional Name: 1-[(Z)-3-chloro-3-(p-tolyl)prop-2-enylidene]azepan-1-ium perchlorate Formula: C16H21Cl2NO4 MolecularWeight: 362.24824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=CC=[N+]2CCCCCC2)Cl.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C/C=[N+]2CCCCCC2)/Cl.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H21ClN.ClHO4/c1-14-6-8-15(9-7-14)16(17)10-13-18-11-4-2-3-5-12-18;2-1(3,4)5/h6-10,13H,2-5,11-12H2,1H3;(H,2,3,4,5)/q+1;/p-1/b16-10-;