1-(2-methoxyphenyl)-4-[(3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-3-yl]piperazin-4-ium

Systemtic Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-3-yl]piperazin-4-ium Openeye Name: 1-[(3S)-1-(1-isopropylpiperidin-1-ium-4-yl)-3-piperidyl]-4-(2-methoxyphenyl)piperazin-1-ium CAS Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(1-propan-2-yl-4-piperidin-1-iumyl)-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-3-yl]piperazin-4-ium Traditional Name: 1-[(3S)-1-(1-isopropylpiperidin-1-ium-4-yl)-3-piperidyl]-4-(2-methoxyphenyl)piperazin-1-ium Formula: C24H42N4O+2 MolecularWeight: 402.61648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C24H40N4O/c1-20(2)25-13-10-21(11-14-25)28-12-6-7-22(19-28)26-15-17-27(18-16-26)23-8-4-5-9-24(23)29-3/h4-5,8-9,20-22H,6-7,10-19H2,1-3H3/p+2/t22-/m0/s1