[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone

Systemtic Name: [4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone Openeye Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(2-isopropyl-4-quinolyl)methanone CAS Name: [4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]-(2-propan-2-yl-4-quinolinyl)methanone IUPAC Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(2-propan-2-ylquinolin-4-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(2-isopropyl-4-quinolyl)methanone Formula: C25H30N3O+ MolecularWeight: 388.5252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)N3CCC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)N3CCC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O/c1-19(2)24-17-22(21-11-6-7-12-23(21)26-24)25(29)28-14-8-13-27(15-16-28)18-20-9-4-3-5-10-20/h3-7,9-12,17,19H,8,13-16,18H2,1-2H3/p+1