(E)-octadec-9-enoate; quinolin-1-ium

Systemtic Name: (E)-octadec-9-enoate; quinolin-1-ium Openeye Name: (E)-octadec-9-enoate; quinolin-1-ium CAS Name: (E)-9-octadecenoate; quinolin-1-ium IUPAC Name: (E)-octadec-9-enoate; quinolin-1-ium Traditional Name: (E)-octadec-9-enoate; quinolin-1-ium Formula: C27H41NO2 MolecularWeight: 411.61994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[O-].C1=CC=C2C(=C1)C=CC=[NH+]2

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[O-].C1=CC=C2C(=C1)C=CC=[NH+]2

InChI

InChI=1S/C18H34O2.C9H7N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-6-9-8(4-1)5-3-7-10-9/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-7H/b10-9+;