1-[(1-methylpyrrol-2-yl)methyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(1-methylpyrrol-2-yl)methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(1-methylpyrrol-2-yl)methyl]piperazine-1,4-diium CAS Name: 1-[(1-methyl-2-pyrrolyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(1-methylpyrrol-2-yl)methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[(1-methylpyrrol-2-yl)methyl]piperazine-1,4-diium Formula: C17H25N3+2 MolecularWeight: 271.4005

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H23N3/c1-18-9-5-8-17(18)15-20-12-10-19(11-13-20)14-16-6-3-2-4-7-16/h2-9H,10-15H2,1H3/p+2