(2-methylpyrrol-1-yl)-(1-phenethylpiperidin-1-ium-1-yl)carbamic acid

Systemtic Name: (2-methylpyrrol-1-yl)-(1-phenethylpiperidin-1-ium-1-yl)carbamic acid Openeye Name: (2-methylpyrrol-1-yl)-(1-phenethylpiperidin-1-ium-1-yl)carbamic acid CAS Name: (2-methyl-1-pyrrolyl)-(1-phenethyl-1-piperidin-1-iumyl)carbamic acid IUPAC Name: (2-methylpyrrol-1-yl)-(1-phenethylpiperidin-1-ium-1-yl)carbamic acid Traditional Name: (2-methylpyrrol-1-yl)-(1-phenethylpiperidin-1-ium-1-yl)carbamic acid Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN1N(C(=O)O)[N+]2(CCCCC2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CN1N(C(=O)O)[N+]2(CCCCC2)CCC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O2/c1-17-9-8-13-20(17)21(19(23)24)22(14-6-3-7-15-22)16-12-18-10-4-2-5-11-18/h2,4-5,8-11,13H,3,6-7,12,14-16H2,1H3/p+1