N-(3-ethynylphenyl)-1-propan-2-yl-piperidin-1-ium-4-amine

Systemtic Name: N-(3-ethynylphenyl)-1-propan-2-yl-piperidin-1-ium-4-amine Openeye Name: N-(3-ethynylphenyl)-1-isopropyl-piperidin-1-ium-4-amine CAS Name: N-(3-ethynylphenyl)-1-propan-2-yl-4-piperidin-1-iumamine IUPAC Name: N-(3-ethynylphenyl)-1-propan-2-ylpiperidin-1-ium-4-amine Traditional Name: (3-ethynylphenyl)-(1-isopropylpiperidin-1-ium-4-yl)amine Formula: C16H23N2+ MolecularWeight: 243.36722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC2=CC=CC(=C2)C#C

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC2=CC=CC(=C2)C#C

InChI

InChI=1S/C16H22N2/c1-4-14-6-5-7-16(12-14)17-15-8-10-18(11-9-15)13(2)3/h1,5-7,12-13,15,17H,8-11H2,2-3H3/p+1