N-(1,4-diazepan-6-yl)-1-ethyl-4-methyl-1-[(3-methylphenyl)methyl]indazol-1-ium-3-carboxamide

Systemtic Name: N-(1,4-diazepan-6-yl)-1-ethyl-4-methyl-1-[(3-methylphenyl)methyl]indazol-1-ium-3-carboxamide Openeye Name: N-(1,4-diazepan-6-yl)-1-ethyl-4-methyl-1-(m-tolylmethyl)indazol-1-ium-3-carboxamide CAS Name: N-(1,4-diazepan-6-yl)-1-ethyl-4-methyl-1-[(3-methylphenyl)methyl]-3-indazol-1-iumcarboxamide IUPAC Name: N-(1,4-diazepan-6-yl)-1-ethyl-4-methyl-1-[(3-methylphenyl)methyl]indazol-1-ium-3-carboxamide Traditional Name: N-(1,4-diazepan-6-yl)-1-ethyl-4-methyl-1-(3-methylbenzyl)indazol-1-ium-3-carboxamide Formula: C24H32N5O+ MolecularWeight: 406.54378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2=CC=CC(=C2C(=N1)C(=O)NC3CNCCNC3)C)CC4=CC=CC(=C4)C

Isomeric SMILES

CC[N+]1(C2=CC=CC(=C2C(=N1)C(=O)NC3CNCCNC3)C)CC4=CC=CC(=C4)C

InChI

InChI=1S/C24H31N5O/c1-4-29(16-19-9-5-7-17(2)13-19)21-10-6-8-18(3)22(21)23(28-29)24(30)27-20-14-25-11-12-26-15-20/h5-10,13,20,25-26H,4,11-12,14-16H2,1-3H3/p+1