2,5-dimethyl-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]pyrrole-3-carbaldehyde

Systemtic Name: 2,5-dimethyl-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]pyrrole-3-carbaldehyde Openeye Name: 2,5-dimethyl-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]pyrrole-3-carbaldehyde CAS Name: 2,5-dimethyl-1-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-3-pyrrolecarboxaldehyde IUPAC Name: 2,5-dimethyl-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]pyrrole-3-carbaldehyde Traditional Name: 2,5-dimethyl-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]pyrrole-3-carbaldehyde Formula: C16H27N2O+ MolecularWeight: 263.39838

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCN2C(=CC(=C2C)C=O)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCN2C(=CC(=C2C)C=O)C

InChI

InChI=1S/C16H26N2O/c1-13-7-4-5-8-17(13)9-6-10-18-14(2)11-16(12-19)15(18)3/h11-13H,4-10H2,1-3H3/p+1/t13-/m0/s1