1-[(3S)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]-3-pyridin-3-yl-propan-1-one

Systemtic Name: 1-[(3S)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]-3-pyridin-3-yl-propan-1-one Openeye Name: 1-[(3S)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]-3-(3-pyridyl)propan-1-one CAS Name: 1-[(3S)-3-(1-phenethyl-4-piperidin-1-iumyl)-1-pyrrolidinyl]-3-(3-pyridinyl)-1-propanone IUPAC Name: 1-[(3S)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one Traditional Name: 1-[(3S)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidino]-3-(3-pyridyl)propan-1-one Formula: C25H34N3O+ MolecularWeight: 392.55696

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2CCN(C2)C(=O)CCC3=CN=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(C[C@@H]1C2CC[NH+](CC2)CCC3=CC=CC=C3)C(=O)CCC4=CN=CC=C4

InChI

InChI=1S/C25H33N3O/c29-25(9-8-22-7-4-14-26-19-22)28-18-13-24(20-28)23-11-16-27(17-12-23)15-10-21-5-2-1-3-6-21/h1-7,14,19,23-24H,8-13,15-18,20H2/p+1/t24-/m1/s1