(3S)-N-ethyl-1-(3-phenylpropyl)-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-ethyl-1-(3-phenylpropyl)-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-ethyl-1-(3-phenylpropyl)-N-(4-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-ethyl-1-(3-phenylpropyl)-N-(pyridin-4-ylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-ethyl-1-(3-phenylpropyl)-N-(pyridin-4-ylmethyl)piperidin-1-ium-3-amine Traditional Name: ethyl-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-(4-pyridylmethyl)amine Formula: C22H32N3+ MolecularWeight: 338.50958

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C2CCC[NH+](C2)CCCC3=CC=CC=C3

Isomeric SMILES

CCN(CC1=CC=NC=C1)[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H31N3/c1-2-25(18-21-12-14-23-15-13-21)22-11-7-17-24(19-22)16-6-10-20-8-4-3-5-9-20/h3-5,8-9,12-15,22H,2,6-7,10-11,16-19H2,1H3/p+1/t22-/m0/s1