ethyl 4-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H29N3O3/c1-2-30-24(29)27-15-13-26(14-16-27)23(28)21-9-7-19(8-10-21)17-25-12-11-20-5-3-4-6-22(20)18-25/h3-10H,2,11-18H2,1H3/p+1