[1-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-1-ium-4-yl]piperidin-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-1-ium-4-yl]piperidin-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[1-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]piperidin-1-ium-4-yl]-4-piperidyl]-pyrrolidin-1-yl-methanone CAS Name: [1-[1-[[(4S)-4-(1-methylethenyl)-1-cyclohexenyl]methyl]-4-piperidin-1-iumyl]-4-piperidinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-1-ium-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[1-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]piperidin-1-ium-4-yl]-4-piperidyl]-pyrrolidino-methanone Formula: C25H42N3O+ MolecularWeight: 400.62048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC(=CC1)C[NH+]2CCC(CC2)N3CCC(CC3)C(=O)N4CCCC4

Isomeric SMILES

CC(=C)[C@H]1CCC(=CC1)C[NH+]2CCC(CC2)N3CCC(CC3)C(=O)N4CCCC4

InChI

InChI=1S/C25H41N3O/c1-20(2)22-7-5-21(6-8-22)19-26-15-11-24(12-16-26)27-17-9-23(10-18-27)25(29)28-13-3-4-14-28/h5,22-24H,1,3-4,6-19H2,2H3/p+1/t22-/m1/s1