3-benzamido-4-methyl-N-[(2S)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide

Systemtic Name: 3-benzamido-4-methyl-N-[(2S)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide Openeye Name: 3-benzamido-4-methyl-N-[(2S)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide CAS Name: 3-benzamido-4-methyl-N-[(2S)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide IUPAC Name: 3-benzamido-4-methyl-N-[(2S)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide Traditional Name: 3-benzamido-4-methyl-N-[(2S)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]benzamide Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(C)[NH+]2CCC3=CC=CC=C3C2)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC[C@H](C)[NH+]2CCC3=CC=CC=C3C2)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2/c1-19-12-13-23(16-25(19)29-27(32)22-9-4-3-5-10-22)26(31)28-17-20(2)30-15-14-21-8-6-7-11-24(21)18-30/h3-13,16,20H,14-15,17-18H2,1-2H3,(H,28,31)(H,29,32)/p+1/t20-/m0/s1