2-(dimethylaminomethyl)-3-[(E)-heptadec-10-enyl]-5-methoxy-cyclohexa-2,5-diene-1,4-dione hydrochloride

Systemtic Name: 2-(dimethylaminomethyl)-3-[(E)-heptadec-10-enyl]-5-methoxy-cyclohexa-2,5-diene-1,4-dione hydrochloride Openeye Name: 2-(dimethylaminomethyl)-3-[(E)-heptadec-10-enyl]-5-methoxy-1,4-benzoquinone hydrochloride CAS Name: 2-(dimethylaminomethyl)-3-[(E)-heptadec-10-enyl]-5-methoxycyclohexa-2,5-diene-1,4-dione hydrochloride IUPAC Name: 2-(dimethylaminomethyl)-3-[(E)-heptadec-10-enyl]-5-methoxycyclohexa-2,5-diene-1,4-dione hydrochloride Traditional Name: 2-(dimethylaminomethyl)-3-[(E)-heptadec-10-enyl]-5-methoxy-p-benzoquinone hydrochloride Formula: C27H46ClNO3 MolecularWeight: 468.11204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)CN(C)C.Cl

Isomeric SMILES

CCCCCC/C=C/CCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)CN(C)C.Cl

InChI

InChI=1S/C27H45NO3.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-24(22-28(2)3)25(29)21-26(31-4)27(23)30;/h10-11,21H,5-9,12-20,22H2,1-4H3;1H/b11-10+;