4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(1-methyl-4-piperidin-1-iumylidene)amino]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]benzamide Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=NNC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3)CC1

Isomeric SMILES

C[NH+]1CCC(=NNC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3)CC1

InChI

InChI=1S/C23H28N4O/c1-26-13-11-22(12-14-26)24-25-23(28)20-8-6-18(7-9-20)16-27-15-10-19-4-2-3-5-21(19)17-27/h2-9H,10-17H2,1H3,(H,25,28)/p+1