azepan-1-yl-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]methanone

Systemtic Name: azepan-1-yl-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]methanone Openeye Name: azepan-1-yl-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]methanone CAS Name: 1-azepanyl-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]methanone IUPAC Name: azepan-1-yl-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]methanone Traditional Name: azepan-1-yl-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]methanone Formula: C23H29N2O+ MolecularWeight: 349.48916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H28N2O/c26-23(25-14-5-1-2-6-15-25)21-11-9-19(10-12-21)17-24-16-13-20-7-3-4-8-22(20)18-24/h3-4,7-12H,1-2,5-6,13-18H2/p+1