4-(cyclohexylmethyl)-1-(1H-indol-2-ylmethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-(cyclohexylmethyl)-1-(1H-indol-2-ylmethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 4-(cyclohexylmethyl)-1-(1H-indol-2-ylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 4-(cyclohexylmethyl)-1-(1H-indol-2-ylmethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 4-(cyclohexylmethyl)-1-(1H-indol-2-ylmethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 4-(cyclohexylmethyl)-1-(1H-indol-2-ylmethyl)-1,4-diazepan-1-ium-5-one Formula: C21H30N3O+ MolecularWeight: 340.4824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CC[NH+](CCC2=O)CC3=CC4=CC=CC=C4N3

Isomeric SMILES

C1CCC(CC1)CN2CC[NH+](CCC2=O)CC3=CC4=CC=CC=C4N3

InChI

InChI=1S/C21H29N3O/c25-21-10-11-23(12-13-24(21)15-17-6-2-1-3-7-17)16-19-14-18-8-4-5-9-20(18)22-19/h4-5,8-9,14,17,22H,1-3,6-7,10-13,15-16H2/p+1