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

Systemtic Name: 1,4-diazepan-4-ium-1-yl-[1-(phenylmethyl)pyrrol-2-yl]methanone Openeye Name: (1-benzylpyrrol-2-yl)-(1,4-diazepan-4-ium-1-yl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-[1-(phenylmethyl)-2-pyrrolyl]methanone IUPAC Name: (1-benzylpyrrol-2-yl)-(1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (1-benzylpyrrol-2-yl)-(1,4-diazepan-4-ium-1-yl)methanone Formula: C17H22N3O+ MolecularWeight: 284.37608

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=CC=CN2CC3=CC=CC=C3

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=CC=CN2CC3=CC=CC=C3

InChI

InChI=1S/C17H21N3O/c21-17(19-12-5-9-18-10-13-19)16-8-4-11-20(16)14-15-6-2-1-3-7-15/h1-4,6-8,11,18H,5,9-10,12-14H2/p+1