1-[4-[(2S)-butan-2-yl]phenyl]-3-(2-piperidin-1-ium-1-ylethyl)urea

Systemtic Name: 1-[4-[(2S)-butan-2-yl]phenyl]-3-(2-piperidin-1-ium-1-ylethyl)urea Openeye Name: 1-[4-[(1S)-1-methylpropyl]phenyl]-3-(2-piperidin-1-ium-1-ylethyl)urea CAS Name: 1-[4-[(2S)-butan-2-yl]phenyl]-3-[2-(1-piperidin-1-iumyl)ethyl]urea IUPAC Name: 1-[4-[(2S)-butan-2-yl]phenyl]-3-(2-piperidin-1-ium-1-ylethyl)urea Traditional Name: 1-[4-[(1S)-1-methylpropyl]phenyl]-3-(2-piperidin-1-ium-1-ylethyl)urea Formula: C18H30N3O+ MolecularWeight: 304.4503

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)NCC[NH+]2CCCCC2

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)NCC[NH+]2CCCCC2

InChI

InChI=1S/C18H29N3O/c1-3-15(2)16-7-9-17(10-8-16)20-18(22)19-11-14-21-12-5-4-6-13-21/h7-10,15H,3-6,11-14H2,1-2H3,(H2,19,20,22)/p+1/t15-/m0/s1