N-[(2,6-dimethylpiperidin-1-ium-1-ylidene)-phenyl-methyl]butan-1-amine

Systemtic Name: N-[(2,6-dimethylpiperidin-1-ium-1-ylidene)-phenyl-methyl]butan-1-amine Openeye Name: N-[(2,6-dimethylpiperidin-1-ium-1-ylidene)-phenyl-methyl]butan-1-amine CAS Name: N-[(2,6-dimethyl-1-piperidin-1-iumylidene)-phenylmethyl]-1-butanamine IUPAC Name: N-[(2,6-dimethylpiperidin-1-ium-1-ylidene)-phenylmethyl]butan-1-amine Traditional Name: butyl-[(2,6-dimethylpiperidin-1-ium-1-ylidene)-phenyl-methyl]amine Formula: C18H29N2+ MolecularWeight: 273.43626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=[N+]1C(CCCC1C)C)C2=CC=CC=C2

Isomeric SMILES

CCCCNC(=[N+]1C(CCCC1C)C)C2=CC=CC=C2

InChI

InChI=1S/C18H28N2/c1-4-5-14-19-18(17-12-7-6-8-13-17)20-15(2)10-9-11-16(20)3/h6-8,12-13,15-16H,4-5,9-11,14H2,1-3H3/p+1