N-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Formula: C25H31N2O+ MolecularWeight: 375.52644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H30N2O/c28-25(26-16-14-20-6-2-1-3-7-20)23-12-10-21(11-13-23)18-27-17-15-22-8-4-5-9-24(22)19-27/h4-6,8-13H,1-3,7,14-19H2,(H,26,28)/p+1