(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methanone CAS Name: (2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methanone Formula: C21H30N3O+ MolecularWeight: 340.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O/c1-16(2)24-17(3)14-20(18(24)4)21(25)23-12-10-22(11-13-23)15-19-8-6-5-7-9-19/h5-9,14,16H,10-13,15H2,1-4H3/p+1