[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone

Systemtic Name: [(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Openeye Name: [(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone CAS Name: [(2R)-2-(1-methyl-2-pyrrolyl)-1-azepanyl]-[4-(1-piperidin-1-iumylmethyl)phenyl]methanone IUPAC Name: [(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Traditional Name: [(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Formula: C24H34N3O+ MolecularWeight: 380.54626

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CN1C=CC=C1[C@H]2CCCCCN2C(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C24H33N3O/c1-25-15-8-10-22(25)23-9-4-2-7-18-27(23)24(28)21-13-11-20(12-14-21)19-26-16-5-3-6-17-26/h8,10-15,23H,2-7,9,16-19H2,1H3/p+1/t23-/m1/s1