(5-methoxy-1H-indol-2-yl)-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: (5-methoxy-1H-indol-2-yl)-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(5-methoxy-1H-indol-2-yl)methanone CAS Name: (5-methoxy-1H-indol-2-yl)-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(5-methoxy-1H-indol-2-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(5-methoxy-1H-indol-2-yl)methanone Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CCC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2/c1-27-19-8-9-20-18(14-19)15-21(23-20)22(26)25-11-5-10-24(12-13-25)16-17-6-3-2-4-7-17/h2-4,6-9,14-15,23H,5,10-13,16H2,1H3/p+1