[1-[4-[(3S)-3-oxidanylpiperidin-1-yl]carbonylphenyl]piperidin-4-yl]-prop-2-enyl-azanium

Systemtic Name: [1-[4-[(3S)-3-oxidanylpiperidin-1-yl]carbonylphenyl]piperidin-4-yl]-prop-2-enyl-azanium Openeye Name: allyl-[1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-piperidyl]ammonium CAS Name: [1-[4-[[(3S)-3-hydroxy-1-piperidinyl]-oxomethyl]phenyl]-4-piperidinyl]-prop-2-enylammonium IUPAC Name: [1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]piperidin-4-yl]-prop-2-enylazanium Traditional Name: allyl-[1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-piperidyl]ammonium Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH2+]C1CCN(CC1)C2=CC=C(C=C2)C(=O)N3CCCC(C3)O

Isomeric SMILES

C=CC[NH2+]C1CCN(CC1)C2=CC=C(C=C2)C(=O)N3CCC[C@@H](C3)O

InChI

InChI=1S/C20H29N3O2/c1-2-11-21-17-9-13-22(14-10-17)18-7-5-16(6-8-18)20(25)23-12-3-4-19(24)15-23/h2,5-8,17,19,21,24H,1,3-4,9-15H2/p+1/t19-/m0/s1